N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide

C20H21N5O2 — CID 97243982

IUPACN-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide
SMILESCOc1ccccc1N1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1
InChIInChI=1S/C20H21N5O2/c1-27-19-8-3-2-7-18(19)24-11-9-16(14-24)22-20(26)15-5-4-6-17(13-15)25-12-10-21-23-25/h2-8,10,12-13,16H,9,11,14H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyPWFWXWJSGAWEIR-INIZCTEOSA-N
MW363.42 g/mol
LogP2.28
Rot. Bonds5

About N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide

N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide (PubChem CID 97243982) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide
PubChem CID97243982
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide
SMILESCOc1ccccc1N1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1
InChIInChI=1S/C20H21N5O2/c1-27-19-8-3-2-7-18(19)24-11-9-16(14-24)22-20(26)15-5-4-6-17(13-15)25-12-10-21-23-25/h2-8,10,12-13,16H,9,11,14H2,1H3,(H,22,26)/t16-/m0/s1
InChIKeyPWFWXWJSGAWEIR-INIZCTEOSA-N
XLogP2.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 51131078
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
CID 136517434
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 97063780
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide
CID 136514939
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
1-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[3-(triazol-1-yl)phenyl]urea
CID 124568770
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide?
The IUPAC name of N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide (CID 97243982) is N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide.
What is the SMILES notation for N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide?
The canonical SMILES for N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide is COc1ccccc1N1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1.
What is the InChIKey of N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide?
The InChIKey is PWFWXWJSGAWEIR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-19-8-3-2-7-18(19)24-11-9-16(14-24)22-20(26)15-5-4-6-17(13-15)25-12-10-21-23-25/h2-8,10,12-13,16H,9,11,14H2,1H3,(H,22,26)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide?
N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide is sourced from PubChem (CID 97243982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).